| SpectraBase Compound ID | 8eqMro0wHJi |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3 |
| InChIKey | LJDWJXUIGKSETE-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BRDLUniXFMB |
|---|---|
| Name | Butan-3-one-2-yl butanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-4-5-8(10)11-7(3)6(2)9/h7H,4-5H2,1-3H3 |
| InChIKey | LJDWJXUIGKSETE-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(CCC)(=O)OC(C)C(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.802404 |